Dual inhibition of FAS and HAS2/3 by 4-MU in Realgar-Coptis chinensis unveils a metabolic checkpoint for liver cancer therapy.

ABSTRACT: Modern pharmacology has found that both Realgar and Coptis chinensis can induce apoptosis in tumor cells, and traditional Chinese medicine theory suggests the possibility of combining the two, however, the specific mechanisms involved have not been elucidated. This study investigated the therapeutic mechanism of the Realgar-Coptis chinensis drug pair (RCCD) against hepatocellular carcinoma (HCC) by identifying its key active compounds and targets. Through integrated LC-MS analysis, transcriptomics, network pharmacology, and bioinformatics, we identified the mechanism of action, key bioactive compounds, and core targets. Molecular docking, molecular dynamics simulations, and microscale thermophoresis (MST) validated the binding affinity between key compounds and core targets. TIMER2.0 datab

SUBMITTER: Wu S 

PROVIDER: S-EPMC12370617 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature